N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 2971764

IUPACN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22)
InChIKeyFTSHWWMFRCWPLM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.67
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2971764) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2971764
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22)
InChIKeyFTSHWWMFRCWPLM-UHFFFAOYSA-N
XLogP2.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
CID 138545235
5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
CID 153592905
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10256564
methyl Z-4-[[2-butyl-5-[[1-butyl-3-[(3,5-dimethyl-4-isoxazolyl)methyl]-2,5-dioxo-4-imidazolidinylidene]methyl]-1H-imidazol-1-yl]methyl]benzoate
CID 11757216
1-[1-[(5-Phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
CID 135387213
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545006
N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545112

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 2971764) is N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FTSHWWMFRCWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-3-5-14(6-4-13)16-11-15(20-23-16)17(22)19-7-2-9-21-10-8-18-12-21/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2971764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).